SCHEMBL5206552

SCHEMBL5206552

COc1ccc2[nH]c(C)c(CC(=O)Nc3ccccc3C(=O)O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.63
▸ HDAC1 Q13547 6/20 0.55
▸ HCAR2 Q8TDS4 2/20 0.53
▸ MAPT P10636 3/20 0.52
▸ MTNR1A P48039 1/20 0.52
▸ MTNR1B P49286 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ PTPN5 P54829 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5205838 0.89 AKR1C2 (0.61) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5214528 0.89 AKR1C2 (0.61) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5209238 0.87 AKR1C2 (0.59) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5209948 0.87 MAPT (0.62) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5208935 0.87 MEN1 (0.62) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5208570 0.87 AKR1C2 (0.59) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5213791 0.86 POLB (0.52) AKR1C2HCAR2MAPTSMN1; SMN2POLB
SCHEMBL5211125 0.86 AKR1C2 (0.58) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5210270 0.86 AKR1C2 (0.60) AKR1C2HDAC1MAPTMTNR1AMTNR1B
SCHEMBL5210657 0.85 AKR1C2 (0.59) AKR1C2HDAC1MAPTMTNR1AMTNR1B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US claimed
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 — — US disclosed
EP-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 — — EP disclosed
US-20040092569-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 2004-05-13 — — US disclosed
EP-1343757-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-09-17 — — EP disclosed
WO-2002050031-A1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 2002-06-27 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092569-A1 Indole derivatives PTGER4, PTGER1, TRPV4 AKR1C2 1632/4885HDAC1 1653/4885HCAR2 307/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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